5-cyclopropyl-N-(2-hydroxybutyl)-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide

C24H27N5O3 — CID 45167477

IUPAC5-cyclopropyl-N-(2-hydroxybutyl)-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide
SMILESCCC(O)CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccc(OC)cc2CC3)c1C1CC1
InChIInChI=1S/C24H27N5O3/c1-3-17(30)12-25-23(31)20-13-27-29(22(20)14-4-5-14)24-26-11-16-7-6-15-10-18(32-2)8-9-19(15)21(16)28-24/h8-11,13-14,17,30H,3-7,12H2,1-2H3,(H,25,31)
InChIKeyJQSZBIYDLGLNCM-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.81
Rot. Bonds7

About 5-cyclopropyl-N-(2-hydroxybutyl)-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide

5-cyclopropyl-N-(2-hydroxybutyl)-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide (PubChem CID 45167477) has the molecular formula C24H27N5O3 and a molecular weight of 433.51 g/mol. Its IUPAC name is 5-cyclopropyl-N-(2-hydroxybutyl)-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-cyclopropyl-N-(2-hydroxybutyl)-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide
PubChem CID45167477
Molecular FormulaC24H27N5O3
Molecular Weight433.51 g/mol
Exact Mass433.21
IUPAC Name5-cyclopropyl-N-(2-hydroxybutyl)-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide
SMILESCCC(O)CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccc(OC)cc2CC3)c1C1CC1
InChIInChI=1S/C24H27N5O3/c1-3-17(30)12-25-23(31)20-13-27-29(22(20)14-4-5-14)24-26-11-16-7-6-15-10-18(32-2)8-9-19(15)21(16)28-24/h8-11,13-14,17,30H,3-7,12H2,1-2H3,(H,25,31)
InChIKeyJQSZBIYDLGLNCM-UHFFFAOYSA-N
XLogP2.81
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 71247478
N-[(S)-(3-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]-2-[(3-hydroxycyclobutyl)amino]quinazoline-7-carboxamide
CID 71250372
5-cyclopropyl-N-[1-(3-isoxazolyl)ethyl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-methyl-1H-pyrazole-4-carboxamide
CID 45166650
5-Cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-((1-methylpiperidin-3-yl)methyl)-1H-pyrazole-4-carboxamide
CID 45167374
1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N,5-dimethyl-N-[(1-methylpiperidin-3-yl)methyl]pyrazole-4-carboxamide
CID 45167538
1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-N-(3-pyridin-4-ylpropyl)pyrazole-4-carboxamide
CID 42166327
N-[3-(dimethylamino)-2,2-dimethylpropyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazole-4-carboxamide
CID 42211187
5-cyclopropyl-1-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]-N-(pyridin-3-ylmethyl)pyrazole-4-carboxamide
CID 42321394
N-[[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]methyl]-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methylpyrazole-4-carboxamide
CID 42397647
5-cyclopropyl-1-(9-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-N-(3-pyridinylmethyl)-1H-pyrazole-4-carboxamide
CID 42398966
N-[2-(diethylamino)ethyl]-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)-5-methyl-1H-pyrazole-4-carboxamide
CID 42420802
3-(4-isopropylphenyl)-7-methyl-N-(2-(naphthalen-2-yloxy)ethyl)pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 44580036

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-N-(2-hydroxybutyl)-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-cyclopropyl-N-(2-hydroxybutyl)-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide (CID 45167477) is 5-cyclopropyl-N-(2-hydroxybutyl)-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-cyclopropyl-N-(2-hydroxybutyl)-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-cyclopropyl-N-(2-hydroxybutyl)-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide is CCC(O)CNC(=O)c1cnn(-c2ncc3c(n2)-c2ccc(OC)cc2CC3)c1C1CC1.
What is the InChIKey of 5-cyclopropyl-N-(2-hydroxybutyl)-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide?
The InChIKey is JQSZBIYDLGLNCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-3-17(30)12-25-23(31)20-13-27-29(22(20)14-4-5-14)24-26-11-16-7-6-15-10-18(32-2)8-9-19(15)21(16)28-24/h8-11,13-14,17,30H,3-7,12H2,1-2H3,(H,25,31).
What are the key properties of 5-cyclopropyl-N-(2-hydroxybutyl)-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide?
5-cyclopropyl-N-(2-hydroxybutyl)-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide has a molecular weight of 433.51 g/mol, XLogP of 2.81, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-N-(2-hydroxybutyl)-1-(8-methoxy-5,6-dihydrobenzo[h]quinazolin-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 45167477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).